ethyl 5-[4-[4-(2,1,3-benzoxadiazol-5-ylcarbonyl)piperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(2,1,3-benzoxadiazol-5-ylcarbonyl)piperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-[4-(benzofurazan-5-carbonyl)piperazino]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H25N7O4 MolecularWeight: 523.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=NON=C5C=C4)C6=CC=CC=N6

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=NON=C5C=C4)C6=CC=CC=N6

InChI

InChI=1S/C28H25N7O4/c1-2-38-28(37)24-18-25(35(30-24)26-5-3-4-12-29-26)19-6-9-21(10-7-19)33-13-15-34(16-14-33)27(36)20-8-11-22-23(17-20)32-39-31-22/h3-12,17-18H,2,13-16H2,1H3